SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '243'


List of Similar Pattern of Amino Acids


Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
5 / 10 GLY A  21
LEU A 112
PHE A 118
THR A 199
HIS A 224
OXE  A 243 (-3.8A)
None
None
None
OXE  A 243 (-4.1A)
1.50A 1a8uA-3e0xA:
27.5
1a8uA-3e0xA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))
2wfo GLYCOPROTEIN 1
(Machupo
mammarenavirus)
3 / 3 LEU A 132
SER A 141
ASN A 137
None
None
NAG  A1243 (-1.8A)
0.79A 1bx4A-2wfoA:
undetectable
1bx4A-2wfoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 12 LEU A 209
HIS A 172
ASP A 121
GLY A 194
HIS A 122
None
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
None
FE  A1243 (-3.5A)
1.38A 1d4fC-4v0hA:
undetectable
1d4fC-4v0hA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)
1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus)
5 / 12 ALA A  94
SER A 239
ILE A 241
PRO A 110
LEU A 243
ALA  A  94 ( 0.0A)
SER  A 239 ( 0.0A)
ILE  A 241 ( 0.7A)
PRO  A 110 ( 1.1A)
LEU  A 243 ( 0.6A)
0.99A 1drfA-1ng0A:
undetectable
1drfA-1ng0A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana)
5 / 12 PRO A 141
LEU A 193
TYR A 156
LEU A 229
ASP A 206
None
None
None
None
MG  A1243 (-3.3A)
1.41A 1e7wA-3mqtA:
undetectable
1e7wA-3mqtA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 10 GLY A 239
CYH A 219
LEU A 129
THR A 101
GLY A 105
None
LLP  A 243 ( 3.5A)
None
LLP  A 243 ( 3.3A)
None
1.26A 1h4oA-3hvyA:
undetectable
1h4oB-3hvyA:
undetectable
1h4oA-3hvyA:
17.65
1h4oB-3hvyA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK1_A_T44A3003_1
(SERUM ALBUMIN)
4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Bacillus
anthracis)
4 / 6 HIS A 274
ILE A 194
LYS A 240
ALA A 243
HIS  A 274 (-1.0A)
ILE  A 194 ( 0.7A)
LYS  A 240 ( 0.0A)
ALA  A 243 ( 0.0A)
0.98A 1hk1A-4dlkA:
undetectable
1hk1A-4dlkA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)
3ea0 ATPASE, PARA FAMILY
(Chlorobaculum
tepidum)
5 / 12 ASP A 205
ASP A 180
ARG A 178
ILE A 202
ILE A 232
None
None
ATP  A 243 (-3.1A)
None
None
1.18A 1kijA-3ea0A:
undetectable
1kijA-3ea0A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus
vulgaris)
4 / 6 LEU A 195
GLU A 223
LEU A 243
LEU A 236
LEU  A 195 ( 0.6A)
GLU  A 223 ( 0.5A)
LEU  A 243 ( 0.5A)
LEU  A 236 ( 0.6A)
1.00A 1mt1D-5c05A:
undetectable
1mt1E-5c05A:
undetectable
1mt1D-5c05A:
11.27
1mt1E-5c05A:
6.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_C_DEXC3999_1
(GLUCOCORTICOID
RECEPTOR)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
5 / 12 MET A 126
LEU A 134
MET A 165
LEU A 169
THR A 199
None
None
OXE  A 243 ( 4.6A)
None
None
1.19A 1p93C-3e0xA:
undetectable
1p93C-3e0xA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3cvj PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE

(Bacillus
halodurans)
4 / 4 ALA A  71
VAL A  46
ALA A  56
HIS A  53
None
None
None
MG  A 243 (-3.5A)
1.17A 1q23F-3cvjA:
undetectable
1q23F-3cvjA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3cvj PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE

(Bacillus
halodurans)
4 / 4 ALA A  71
VAL A  46
ALA A  56
HIS A  53
None
None
None
MG  A 243 (-3.5A)
1.22A 1q23K-3cvjA:
undetectable
1q23K-3cvjA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 ASN A 244
ILE A 245
ASP A 217
GLY A 239
ALA A 238
LLP  A 243 ( 4.7A)
None
LLP  A 243 ( 2.9A)
None
None
1.06A 1r9oA-3hvyA:
undetectable
1r9oA-3hvyA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_0
(HEMK PROTEIN)
3ea0 ATPASE, PARA FAMILY
(Chlorobaculum
tepidum)
5 / 12 ILE A 120
GLY A  15
GLU A 140
PHE A   4
ASN A  21
None
ATP  A 243 (-3.8A)
None
None
None
1.21A 1sg9A-3ea0A:
3.1
1sg9A-3ea0A:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_0
(HEMK PROTEIN)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 PRO A 297
ILE A 242
GLY A 247
ILE A 245
ASN A 244
None
LLP  A 243 ( 4.3A)
None
None
LLP  A 243 ( 4.7A)
1.10A 1sg9A-3hvyA:
4.6
1sg9A-3hvyA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
4 / 7 TYR A  88
HIS A 224
LEU A 198
MET A 165
OXE  A 243 (-4.2A)
OXE  A 243 (-4.1A)
None
OXE  A 243 ( 4.6A)
1.10A 1tuvA-3e0xA:
undetectable
1tuvA-3e0xA:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
8 / 12 PRO A  85
GLY A 109
SER A 132
ILE A 133
VAL A 137
LEU A 138
GLY A 140
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
None
None
None
EDO  A 243 (-4.0A)
EDO  A 243 (-4.1A)
EDO  A 243 (-3.6A)
0.77A 1uakA-3quvA:
20.7
1uakA-3quvA:
40.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
7 / 12 PHE A 110
GLY A 111
GLY A 116
ILE A 131
SER A 139
LEU A 140
ALA A 145
None
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
EDO  A 242 ( 3.7A)
0.75A 1v2xA-3ilkA:
16.8
1v2xA-3ilkA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
4 / 5 PHE A 155
LEU A 134
PHE A 225
SER A  89
None
None
None
OXE  A 243 (-2.8A)
1.29A 1wrlC-3e0xA:
undetectable
1wrlC-3e0xA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
7 / 11 THR A  78
GLY A 111
GLY A 116
ILE A 131
SER A 139
LEU A 140
ALA A 145
EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
EDO  A 242 ( 3.7A)
0.93A 1x7pA-3ilkA:
17.1
1x7pB-3ilkA:
17.3
1x7pA-3ilkA:
22.15
1x7pB-3ilkA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
6 / 10 THR A  78
GLY A 111
GLY A 116
ILE A 131
LEU A 140
ALA A 145
EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
EDO  A 242 ( 3.7A)
0.74A 1x7pA-3ilkA:
17.1
1x7pB-3ilkA:
17.3
1x7pA-3ilkA:
22.15
1x7pB-3ilkA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_B_BEZB12_0
(CES1 PROTEIN)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 4 GLY A  33
SER A 190
VAL A 120
LEU A  66
None
None
None
F6R  A1243 (-4.0A)
1.22A 1yajB-2bkxA:
undetectable
1yajB-2bkxA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)
5gpr CHITINASE
(Ostrinia
furnacalis)
4 / 8 LYS A 243
GLY A 247
PHE A 299
ASP A 127
LYS  A 243 ( 0.0A)
GLY  A 247 ( 0.0A)
PHE  A 299 ( 1.3A)
ASP  A 127 ( 0.5A)
1.03A 2aouA-5gprA:
undetectable
2aouA-5gprA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_C_SAMC301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis)
4 / 4 SER V 147
ASP V 113
ARG V 110
ASP V 107
None
CA  V2430 (-2.7A)
None
None
1.30A 2bm9C-4bxsV:
undetectable
2bm9C-4bxsV:
9.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 PHE A  86
VAL A  93
LEU A  78
VAL A  81
GLY A 246
None
None
None
None
LLP  A 243 ( 4.0A)
1.04A 2cbrA-3hvyA:
undetectable
2cbrA-3hvyA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 5 TYR A 116
MET A 182
THR A 181
LEU A  66
None
None
None
F6R  A1243 (-4.0A)
1.39A 2eimJ-2bkxA:
undetectable
2eimJ-2bkxA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 5 TYR A 116
MET A 182
THR A 181
LEU A  66
None
None
None
F6R  A1243 (-4.0A)
1.41A 2eimW-2bkxA:
undetectable
2eimW-2bkxA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G72_B_SAMB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis)
4 / 7 TYR V 888
GLY V 894
TYR V 942
ASP V 909
None
None
None
CA  V2431 (-3.3A)
0.96A 2g72B-4bxsV:
undetectable
2g72B-4bxsV:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)
3tpu 42F3 ALPHA
42F3 BETA

(Homo
sapiens;
Mus
musculus)
5 / 12 ALA B 234
VAL B 193
HIS B 204
PHE B 205
SER A 128
None
None
SO4  B 243 (-3.9A)
None
None
1.35A 2gl0A-3tpuB:
undetectable
2gl0C-3tpuB:
undetectable
2gl0A-3tpuB:
20.52
2gl0C-3tpuB:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)
2r7e COAGULATION FACTOR
VIII

(Homo
sapiens)
4 / 6 ASN B2019
HIS B2082
ILE B1940
GLN B1874
NAG  B2431 ( 4.8A)
None
None
None
1.20A 2hkkA-2r7eB:
undetectable
2hkkA-2r7eB:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)
2r7e COAGULATION FACTOR
VIII

(Homo
sapiens)
4 / 6 ASN B2019
HIS B2082
ILE B1940
GLN B1938
NAG  B2431 ( 4.8A)
None
None
NAG  B2431 (-3.4A)
1.19A 2hkkA-2r7eB:
undetectable
2hkkA-2r7eB:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRE_D_CHDD702_0
(FERROCHELATASE)
1vho ENDOGLUCANASE
(Thermotoga
maritima)
3 / 3 ARG A 316
GLY A 243
PRO A 244
ARG  A 316 ( 0.6A)
GLY  A 243 ( 0.0A)
PRO  A 244 ( 1.1A)
0.70A 2hreD-1vhoA:
2.4
2hreD-1vhoA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)
3ubl GLUTATHIONE
TRANSFERASE

(Leptospira
interrogans)
3 / 3 THR A  76
ASP A 153
SER A 155
SO4  A 243 (-3.8A)
None
None
0.67A 2nxeA-3ublA:
undetectable
2nxeA-3ublA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)
3ubl GLUTATHIONE
TRANSFERASE

(Leptospira
interrogans)
3 / 3 THR A  76
ASP A 153
SER A 155
SO4  A 243 (-3.8A)
None
None
0.70A 2nxeB-3ublA:
undetectable
2nxeB-3ublA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
3 / 3 LEU A 227
TYR A  88
GLY A  92
None
OXE  A 243 (-4.2A)
None
0.50A 2ocuA-3e0xA:
undetectable
2ocuA-3e0xA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
5 / 12 LEU A 158
THR A 157
LEU A 150
LEU A 227
HIS A  20
OXE  A 243 (-4.7A)
None
None
None
None
1.07A 2ouzA-3e0xA:
undetectable
2ouzA-3e0xA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 11 ASP A 121
HIS A 122
HIS A 172
ASP A 195
HIS A 234
FE  A1243 (-2.9A)
FE  A1243 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 ( 2.4A)
FE  A1243 (-3.2A)
0.60A 2q0jB-4v0hA:
13.2
2q0jB-4v0hA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q9R_A_BEZA203_0
(PROTEIN OF UNKNOWN
FUNCTION)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
4 / 5 GLY A 141
PRO A  83
ILE A 148
ILE A 133
EDO  A 243 (-3.6A)
None
None
None
0.84A 2q9rA-3quvA:
undetectable
2q9rA-3quvA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2znw SCFV10
(Mus
musculus;
synthetic
construct)
4 / 7 GLY A 171
GLY A 222
GLN A  89
PHE A  98
None
1PG  A 243 ( 4.7A)
1PG  A 243 (-3.2A)
None
0.92A 2qwxA-2znwA:
undetectable
2qwxB-2znwA:
undetectable
2qwxA-2znwA:
20.61
2qwxB-2znwA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RHM_D_BEZD194_0
(PUTATIVE KINASE)
2w1k PUTATIVE SORTASE
(Streptococcus
pneumoniae)
4 / 5 PRO A 131
ILE A 137
ARG A 222
ASP A 133
None
None
MES  A1243 (-2.7A)
MES  A1243 (-3.3A)
1.48A 2rhmD-2w1kA:
undetectable
2rhmD-2w1kA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
5 / 8 ARG A 192
ASP A  67
LEU A  66
GLY A 140
TYR A  80
None
F6R  A1243 (-3.1A)
F6R  A1243 (-4.0A)
F6R  A1243 (-3.0A)
None
1.46A 2tsrB-2bkxA:
undetectable
2tsrB-2bkxA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
5 / 9 ASP A  67
LEU A  66
GLY A 140
TYR A  80
THR A 126
F6R  A1243 (-3.1A)
F6R  A1243 (-4.0A)
F6R  A1243 (-3.0A)
None
None
1.26A 2tsrD-2bkxA:
undetectable
2tsrD-2bkxA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_O_C41O1327_2
(RENIN)
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum)
4 / 8 SER A 142
PRO A  39
LEU A  44
THR A 196
None
None
None
EDO  A 243 (-3.0A)
1.15A 2v0zO-3bkwA:
undetectable
2v0zO-3bkwA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii)
4 / 7 THR A 170
VAL A 174
SER A 171
ARG A 181
None
ACT  A 243 (-4.7A)
None
None
1.06A 2v2gA-2hi0A:
2.6
2v2gB-2hi0A:
2.5
2v2gA-2hi0A:
20.97
2v2gB-2hi0A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii)
4 / 7 THR A 170
VAL A 174
SER A 171
ARG A 181
None
ACT  A 243 (-4.7A)
None
None
1.07A 2v2gC-2hi0A:
2.6
2v2gD-2hi0A:
2.6
2v2gC-2hi0A:
20.97
2v2gD-2hi0A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii)
4 / 7 THR A 170
VAL A 174
SER A 171
ARG A 181
None
ACT  A 243 (-4.7A)
None
None
1.06A 2v41E-2hi0A:
2.5
2v41F-2hi0A:
2.2
2v41E-2hi0A:
20.97
2v41F-2hi0A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii)
4 / 7 THR A 170
VAL A 174
SER A 171
ARG A 181
None
ACT  A 243 (-4.7A)
None
None
1.08A 2v41E-2hi0A:
2.5
2v41F-2hi0A:
2.2
2v41E-2hi0A:
20.97
2v41F-2hi0A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDV_E_SAME1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana)
5 / 12 GLY A 257
ILE A 232
ALA A 217
ASP A 206
GLU A 259
None
None
None
MG  A1243 (-3.3A)
MG  A1243 (-3.0A)
1.14A 2vdvE-3mqtA:
undetectable
2vdvE-3mqtA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDV_F_SAMF1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana)
5 / 11 GLY A 257
ILE A 232
ALA A 217
ASP A 206
GLU A 259
None
None
None
MG  A1243 (-3.3A)
MG  A1243 (-3.0A)
1.14A 2vdvF-3mqtA:
undetectable
2vdvF-3mqtA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
5 / 12 ILE A   7
ALA A  21
ARG A 112
PHE A 110
ILE A 131
None
None
None
None
EDO  A 243 (-4.0A)
1.10A 2w3bA-3ilkA:
undetectable
2w3bA-3ilkA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 THR A 300
ILE A 388
ALA A 307
GLY A 306
GLY A 407
None
LLP  A 243 ( 3.8A)
None
None
None
1.08A 2y7hB-3hvyA:
undetectable
2y7hB-3hvyA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 THR A 300
ILE A 388
ALA A 307
GLY A 306
GLY A 407
None
LLP  A 243 ( 3.8A)
None
None
None
1.08A 2y7hC-3hvyA:
undetectable
2y7hC-3hvyA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 10 THR A 101
ILE A 104
GLY A 105
HIS A 180
THR A 128
LLP  A 243 ( 3.3A)
None
None
None
LLP  A 243 ( 4.8A)
1.26A 2y7wB-3hvyA:
undetectable
2y7wB-3hvyA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)
4ki5 COAGULATION FACTOR
VIII

(Homo
sapiens)
5 / 12 ILE M2190
ILE M2185
VAL M2243
VAL M2240
PRO M2177
ILE  M2190 ( 0.7A)
ILE  M2185 ( 0.7A)
VAL  M2243 ( 0.6A)
VAL  M2240 ( 0.6A)
PRO  M2177 ( 1.1A)
0.94A 2ygpA-4ki5M:
undetectable
2ygpA-4ki5M:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 5 TYR A 116
MET A 182
THR A 181
LEU A  66
None
None
None
F6R  A1243 (-4.0A)
1.38A 3ag2J-2bkxA:
undetectable
3ag2J-2bkxA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 5 TYR A 116
MET A 182
THR A 181
LEU A  66
None
None
None
F6R  A1243 (-4.0A)
1.38A 3ag4J-2bkxA:
undetectable
3ag4J-2bkxA:
10.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 GLY A 109
GLY A 113
ILE A 133
LEU A 138
GLY A 140
GLY A 141
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
EDO  A 243 (-4.1A)
EDO  A 243 (-3.6A)
0.51A 3axzA-3quvA:
21.8
3axzA-3quvA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 PRO A  85
GLY A 109
GLY A 113
ILE A 133
LEU A 138
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
EDO  A 243 (-3.6A)
0.78A 3axzA-3quvA:
21.8
3axzA-3quvA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 PRO A  85
GLY A 109
GLY A 113
SER A 132
ILE A 133
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
None
EDO  A 243 (-3.6A)
0.96A 3axzA-3quvA:
21.8
3axzA-3quvA:
40.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum)
3 / 3 LEU A 116
VAL A 193
ARG A 191
None
None
EDO  A 243 ( 3.8A)
0.74A 3b0wB-3bkwA:
undetectable
3b0wB-3bkwA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKZ_A_ZMRA469_2
(NEURAMINIDASE)
5a3m CEA1
(Komagataella
pastoris)
4 / 6 ASP A  58
ARG A  75
ILE A  62
SER A 174
None
PEG  A1243 (-3.6A)
None
None
1.41A 3ckzA-5a3mA:
undetectable
3ckzA-5a3mA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
6 / 11 THR A  78
GLY A 111
GLY A 116
ILE A 131
LEU A 140
ALA A 145
EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
EDO  A 242 ( 3.7A)
0.82A 3dcmX-3ilkA:
15.1
3dcmX-3ilkA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)
2v4y URIDYLATE KINASE
(Escherichia
coli)
5 / 12 LEU A  21
GLY A  56
GLY A  18
ALA A  83
THR A  84
None
GTP  A1243 (-3.3A)
GTP  A1243 (-3.5A)
None
None
1.14A 3dh0B-2v4yA:
undetectable
3dh0B-2v4yA:
24.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZY_D_BRLD478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
4 / 4 ILE A 121
GLN A 182
ILE A 202
LEU A 129
None
LLP  A 243 ( 4.0A)
None
None
1.29A 3dzyD-3hvyA:
undetectable
3dzyD-3hvyA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
3 / 3 ASN A  99
ASP A 217
GLN A 182
LLP  A 243 ( 3.3A)
LLP  A 243 ( 2.9A)
LLP  A 243 ( 4.0A)
0.81A 3eeyC-3hvyA:
5.6
3eeyC-3hvyA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_1
(PUTATIVE RRNA
METHYLASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
3 / 3 ASN A  99
ASP A 217
GLN A 182
LLP  A 243 ( 3.3A)
LLP  A 243 ( 2.9A)
LLP  A 243 ( 4.0A)
0.83A 3eeyD-3hvyA:
5.5
3eeyD-3hvyA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
3 / 3 ASN A  99
ASP A 217
GLN A 182
LLP  A 243 ( 3.3A)
LLP  A 243 ( 2.9A)
LLP  A 243 ( 4.0A)
0.83A 3eeyE-3hvyA:
4.3
3eeyE-3hvyA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)
4b0a TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1,
LINKER,
TATA-BOX-BINDING
PROTEIN

(Saccharomyces
cerevisiae)
4 / 7 THR A 212
VAL A 222
THR A 224
VAL A 171
GOL  A1242 (-3.8A)
None
GOL  A1243 (-3.0A)
None
0.32A 3em0B-4b0aA:
undetectable
3em0B-4b0aA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)
2znw SCFV10
(Mus
musculus;
synthetic
construct)
3 / 3 TYR A  36
TYR A 169
GLY A 222
None
None
1PG  A 243 ( 4.7A)
0.71A 3eteB-2znwA:
undetectable
3eteD-2znwA:
undetectable
3eteF-2znwA:
undetectable
3eteB-2znwA:
18.74
3eteD-2znwA:
18.74
3eteF-2znwA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 SER A 391
TYR A 220
ALA A 392
GLY A 402
TYR A 187
None
LLP  A 243 ( 3.6A)
None
None
None
1.12A 3f8wA-3hvyA:
undetectable
3f8wA-3hvyA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 SER A 391
TYR A 220
ALA A 392
GLY A 402
TYR A 187
None
LLP  A 243 ( 3.6A)
None
None
None
1.12A 3f8wC-3hvyA:
undetectable
3f8wC-3hvyA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 GLY A 248
GLY A 246
THR A 409
LEU A 408
SER A 240
None
LLP  A 243 ( 4.0A)
None
None
LLP  A 243 ( 3.8A)
1.20A 3mteA-3hvyA:
2.1
3mteA-3hvyA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
5 / 12 ASN A  17
GLY A 111
GLY A 116
ILE A 131
SER A 139
None
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
0.88A 3nk7A-3ilkA:
15.9
3nk7A-3ilkA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
5 / 12 GLY A 111
GLY A 116
ILE A 131
SER A 139
ASN A 141
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
0.89A 3nk7A-3ilkA:
15.9
3nk7A-3ilkA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
7 / 12 ASN A  17
PHE A 110
GLY A 111
GLY A 116
ILE A 131
SER A 139
LEU A 140
None
None
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
0.76A 3nk7B-3ilkA:
15.9
3nk7B-3ilkA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXC_A_ROCA401_1
(PROTEASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 ASP A 393
GLY A 406
ILE A 388
PRO A 356
VAL A 357
None
None
LLP  A 243 ( 3.8A)
None
None
0.95A 3oxcA-3hvyA:
undetectable
3oxcA-3hvyA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)
3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Clostridium
perfringens)
3 / 3 THR A  34
ASP A 126
GLU A  91
CIT  A 243 (-3.9A)
None
AMP  A 242 (-4.2A)
0.81A 3qowA-3nuaA:
undetectable
3qowA-3nuaA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)
2v4y URIDYLATE KINASE
(Escherichia
coli)
5 / 12 ALA A 148
THR A 145
LEU A  21
MET A  91
LEU A  16
None
GTP  A1243 (-4.5A)
None
None
None
1.25A 3s79A-2v4yA:
undetectable
3s79A-2v4yA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)
2w1k PUTATIVE SORTASE
(Streptococcus
pneumoniae)
4 / 7 LEU A 132
SER A  59
TYR A 167
HIS A 124
MES  A1243 (-3.6A)
None
None
None
1.37A 4arcA-2w1kA:
undetectable
4arcA-2w1kA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AX8_A_SAMA1474_1
(WBDD)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
4 / 6 TYR A 223
ASP A 203
GLU A 243
LEU A 234
TYR  A 223 ( 1.3A)
ASP  A 203 ( 0.6A)
GLU  A 243 ( 0.5A)
LEU  A 234 ( 0.6A)
1.16A 4ax8A-3sl5A:
undetectable
4ax8A-3sl5A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 10 HIS A 117
HIS A 119
ASP A 121
HIS A 172
HIS A 234
FE  A1242 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.66A 4c1dB-4v0hA:
7.3
4c1dB-4v0hA:
25.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 11 HIS A 117
HIS A 119
ASP A 121
HIS A 172
HIS A 234
FE  A1242 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.72A 4c1fA-4v0hA:
14.3
4c1fB-4v0hA:
6.0
4c1fA-4v0hA:
21.55
4c1fB-4v0hA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 9 HIS A 117
HIS A 119
ASP A 121
HIS A 172
HIS A 234
FE  A1242 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.64A 4c1hA-4v0hA:
5.8
4c1hA-4v0hA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 10 GLY A 124
ASP A 121
GLY A  88
HIS A 117
HIS A 234
None
FE  A1243 (-2.9A)
None
FE  A1242 (-3.5A)
FE  A1243 (-3.2A)
1.11A 4c5nB-4v0hA:
undetectable
4c5nB-4v0hA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)
3ea0 ATPASE, PARA FAMILY
(Chlorobaculum
tepidum)
4 / 6 GLY A  15
VAL A 144
GLY A   5
GLU A 140
ATP  A 243 (-3.8A)
None
None
None
0.86A 4dxuA-3ea0A:
undetectable
4dxuA-3ea0A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
4 / 8 HIS A 119
ASP A 121
HIS A 172
HIS A 234
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.65A 4exsB-4v0hA:
14.6
4exsB-4v0hA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 7 GLY A  38
GLY A  37
TYR A 168
ASN A 165
F6R  A1243 (-3.7A)
F6R  A1243 (-3.5A)
None
F6R  A1243 ( 4.8A)
1.02A 4fgkB-2bkxA:
2.3
4fgkB-2bkxA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
5 / 12 GLY A  21
GLY A  23
MET A 165
ILE A  94
SER A  89
OXE  A 243 (-3.8A)
None
OXE  A 243 ( 4.6A)
None
OXE  A 243 (-2.8A)
1.14A 4iv0B-3e0xA:
undetectable
4iv0B-3e0xA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JEC_B_478B401_3
(HIV-1 PROTEASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
3 / 3 ASP A 217
LEU A 108
VAL A 270
LLP  A 243 ( 2.9A)
None
None
0.71A 4jecB-3hvyA:
undetectable
4jecB-3hvyA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
4 / 6 LEU A 227
TYR A  88
ILE A 143
GLY A 222
None
OXE  A 243 (-4.2A)
None
None
0.94A 4l39A-3e0xA:
undetectable
4l39A-3e0xA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus)
5 / 9 ALA A  37
LEU A 262
PHE A 258
THR A 243
LEU A 246
ALA  A  37 ( 0.0A)
LEU  A 262 ( 0.6A)
PHE  A 258 ( 1.3A)
THR  A 243 ( 0.8A)
LEU  A 246 ( 0.6A)
1.34A 4ltwA-1c8xA:
undetectable
4ltwA-1c8xA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
5 / 12 GLY A  21
GLY A  23
MET A 165
ILE A  94
SER A  89
OXE  A 243 (-3.8A)
None
OXE  A 243 ( 4.6A)
None
OXE  A 243 (-2.8A)
1.13A 4mwzA-3e0xA:
2.4
4mwzA-3e0xA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
2v4y URIDYLATE KINASE
(Escherichia
coli)
5 / 12 ALA A 164
ASN A  87
GLY A  18
THR A 145
VAL A  53
None
None
GTP  A1243 (-3.5A)
GTP  A1243 (-4.5A)
None
1.10A 4nkxD-2v4yA:
undetectable
4nkxD-2v4yA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)
1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus)
5 / 12 ILE A 115
ILE A 101
LEU A 243
GLY A  67
ILE A  69
ILE  A 115 ( 0.4A)
ILE  A 101 ( 0.7A)
LEU  A 243 ( 0.6A)
GLY  A  67 ( 0.0A)
ILE  A  69 ( 0.7A)
1.06A 4o1eB-1ng0A:
undetectable
4o1eB-1ng0A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)
3ea0 ATPASE, PARA FAMILY
(Chlorobaculum
tepidum)
5 / 12 ILE A 232
THR A 231
ALA A 179
LEU A 228
ASP A 180
None
None
None
ATP  A 243 ( 4.6A)
None
1.48A 4pbhA-3ea0A:
1.6
4pbhA-3ea0A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 12 HIS A 172
HIS A 119
GLY A 118
ASP A 195
GLY A 194
FE  A1242 (-3.4A)
FE  A1242 (-3.4A)
None
FE  A1243 ( 2.4A)
None
1.32A 4qa0A-4v0hA:
undetectable
4qa0A-4v0hA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)
2v4y URIDYLATE KINASE
(Escherichia
coli)
5 / 10 GLU A  19
ASN A  59
LEU A  34
LEU A  16
MET A 220
GTP  A1243 (-2.7A)
None
None
None
None
1.38A 4r3aB-2v4yA:
undetectable
4r3aB-2v4yA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
5 / 12 ALA A 250
GLU A 222
SER A 240
TYR A  82
LEU A 289
None
None
LLP  A 243 ( 3.8A)
None
None
1.47A 4xqeA-3hvyA:
2.8
4xqeA-3hvyA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 GLY A 109
GLY A 113
ILE A 133
LEU A 138
GLY A 140
GLY A 141
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
EDO  A 243 (-4.1A)
EDO  A 243 (-3.6A)
0.49A 4yvgA-3quvA:
20.7
4yvgA-3quvA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 PRO A  85
GLY A 109
GLY A 113
ILE A 133
LEU A 138
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
EDO  A 243 (-3.6A)
0.77A 4yvgA-3quvA:
20.7
4yvgA-3quvA:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
5 / 12 PRO A  85
GLY A 109
GLY A 113
SER A 132
ILE A 133
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
None
1.01A 4yvgA-3quvA:
20.7
4yvgA-3quvA:
40.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus
vulgaris)
4 / 8 LEU A 243
LEU A 195
THR A 219
LEU A 222
LEU  A 243 ( 0.5A)
LEU  A 195 ( 0.6A)
THR  A 219 ( 0.8A)
LEU  A 222 ( 0.6A)
0.77A 4z90F-5c05A:
5.9
4z90G-5c05A:
5.9
4z90H-5c05A:
3.4
4z90I-5c05A:
5.8
4z90J-5c05A:
5.9
4z90F-5c05A:
21.23
4z90G-5c05A:
21.23
4z90H-5c05A:
21.23
4z90I-5c05A:
21.23
4z90J-5c05A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum)
4 / 6 TYR A  88
HIS A 224
GLY A 114
GLU A 196
OXE  A 243 (-4.2A)
OXE  A 243 (-4.1A)
None
None
1.35A 4zbqA-3e0xA:
undetectable
4zbqA-3e0xA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)
2v4y URIDYLATE KINASE
(Escherichia
coli)
5 / 11 LEU A  89
VAL A  85
LEU A  21
GLY A  56
LEU A  60
None
None
None
GTP  A1243 (-3.3A)
None
1.27A 4zbqA-2v4yA:
undetectable
4zbqA-2v4yA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
4 / 8 HIS A 119
ASP A 121
HIS A 172
HIS A 234
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.68A 5a5zA-4v0hA:
15.2
5a5zA-4v0hA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
6 / 11 HIS A 117
HIS A 119
ASP A 121
HIS A 122
HIS A 172
HIS A 234
FE  A1242 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1243 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.49A 5ayaA-4v0hA:
13.8
5ayaA-4v0hA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)
1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii)
3 / 3 ASP A 243
VAL A 250
LEU A 224
ASP  A 243 (-0.6A)
VAL  A 250 ( 0.6A)
LEU  A 224 ( 0.6A)
0.66A 5e5jB-1wqaA:
undetectable
5e5jB-1wqaA:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)
3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Clostridium
perfringens)
3 / 3 THR A  34
ASP A 126
GLU A  91
CIT  A 243 (-3.9A)
None
AMP  A 242 (-4.2A)
0.84A 5fa8A-3nuaA:
undetectable
5fa8A-3nuaA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA602_1
(CHITINASE)
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana)
3 / 3 TRP A 311
GLU A 334
ASP A 206
None
MG  A1243 ( 4.9A)
MG  A1243 (-3.3A)
0.81A 5gqbA-3mqtA:
8.5
5gqbA-3mqtA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis)
5 / 12 GLU V 893
LEU V 599
ASP V 654
LEU V 631
GLY V 632
CA  V2431 ( 4.6A)
None
None
None
None
0.98A 5j7wD-4bxsV:
undetectable
5j7wD-4bxsV:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JKV_A_ASDA602_1
(AROMATASE)
2v4y URIDYLATE KINASE
(Escherichia
coli)
5 / 12 ALA A 148
THR A 145
LEU A  21
MET A  91
LEU A  16
None
GTP  A1243 (-4.5A)
None
None
None
1.24A 5jkvA-2v4yA:
undetectable
5jkvA-2v4yA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
8 / 12 THR A  78
GLY A 111
GLY A 116
ILE A 131
SER A 139
LEU A 140
LEU A 142
ALA A 145
EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
EDO  A 242 ( 4.5A)
EDO  A 242 ( 3.7A)
0.71A 5l0zA-3ilkA:
17.1
5l0zA-3ilkA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae)
8 / 10 THR A  78
GLY A 111
GLY A 116
ILE A 131
SER A 139
LEU A 140
LEU A 142
ALA A 145
EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
EDO  A 242 ( 4.5A)
EDO  A 242 ( 3.7A)
0.80A 5l0zB-3ilkA:
7.2
5l0zB-3ilkA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
4 / 8 ASP A 195
HIS A 172
HIS A 117
HIS A 234
FE  A1243 ( 2.4A)
FE  A1242 (-3.4A)
FE  A1242 (-3.5A)
FE  A1243 (-3.2A)
0.92A 5nekD-4v0hA:
undetectable
5nekD-4v0hA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)
2rch CYTOCHROME P450 74A
(Arabidopsis
thaliana)
5 / 12 GLY A 324
LEU A 147
TRP A 246
THR A 138
TYR A 141
243  A 601 (-3.8A)
None
None
None
None
1.29A 5nknA-2rchA:
0.0
5nknA-2rchA:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 12 ALA A 231
GLY A 232
SER A 233
GLU A 243
LEU A 444
ALA  A 231 ( 0.0A)
GLY  A 232 ( 0.0A)
SER  A 233 ( 0.0A)
GLU  A 243 ( 0.6A)
LEU  A 444 ( 0.6A)
0.94A 5nwuA-3ulkA:
undetectable
5nwuA-3ulkA:
6.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
5 / 10 HIS A 117
HIS A 119
HIS A 122
HIS A 172
ASP A 195
FE  A1242 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 (-3.5A)
FE  A1242 (-3.4A)
FE  A1243 ( 2.4A)
0.29A 5nzwA-4v0hA:
4.0
5nzwA-4v0hA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_H_SAMH501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
5 / 10 PRO A  85
GLY A 109
GLY A 113
VAL A 137
LEU A 138
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
0.92A 5o96G-3quvA:
8.3
5o96H-3quvA:
8.9
5o96G-3quvA:
23.19
5o96H-3quvA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
5 / 12 ILE A 139
GLY A 140
LEU A  66
SER A 189
LEU A 188
None
F6R  A1243 (-3.0A)
F6R  A1243 (-4.0A)
None
None
0.67A 5twjC-2bkxA:
undetectable
5twjC-2bkxA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UL4_A_SAMA803_0
(OXSB PROTEIN)
2aee OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Streptococcus
pyogenes)
5 / 12 ALA A  74
ARG A  40
GLY A  77
GLY A  81
ILE A  83
None
GOL  A2431 (-3.6A)
None
None
None
1.20A 5ul4A-2aeeA:
3.7
5ul4A-2aeeA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
5 / 7 GLY A 183
ILE A 139
GLY A 140
LEU A  66
ILE A 128
None
None
F6R  A1243 (-3.0A)
F6R  A1243 (-4.0A)
None
1.16A 5vkqA-2bkxA:
undetectable
5vkqB-2bkxA:
undetectable
5vkqA-2bkxA:
9.78
5vkqB-2bkxA:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_B_PCFB1802_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum)
4 / 7 THR A 196
HIS A 145
PRO A 146
ILE A 147
EDO  A 243 (-3.0A)
None
None
None
1.18A 5vkqA-3bkwA:
undetectable
5vkqB-3bkwA:
undetectable
5vkqA-3bkwA:
9.81
5vkqB-3bkwA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_B_PCFB1804_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
5 / 8 GLY A 183
ILE A 139
GLY A 140
LEU A  66
ILE A 128
None
None
F6R  A1243 (-3.0A)
F6R  A1243 (-4.0A)
None
1.13A 5vkqB-2bkxA:
undetectable
5vkqC-2bkxA:
undetectable
5vkqB-2bkxA:
9.78
5vkqC-2bkxA:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum)
4 / 8 THR A 196
HIS A 145
PRO A 146
ILE A 147
EDO  A 243 (-3.0A)
None
None
None
1.14A 5vkqB-3bkwA:
undetectable
5vkqC-3bkwA:
undetectable
5vkqB-3bkwA:
9.81
5vkqC-3bkwA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_D_PCFD1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum)
4 / 7 THR A 196
HIS A 145
PRO A 146
ILE A 147
EDO  A 243 (-3.0A)
None
None
None
1.15A 5vkqC-3bkwA:
undetectable
5vkqD-3bkwA:
undetectable
5vkqC-3bkwA:
9.81
5vkqD-3bkwA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 5 TYR A 116
MET A 182
THR A 181
LEU A  66
None
None
None
F6R  A1243 (-4.0A)
1.41A 5wauJ-2bkxA:
undetectable
5wauJ-2bkxA:
10.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
7 / 12 GLY A 109
GLY A 113
ILE A 133
VAL A 137
LEU A 138
GLY A 140
GLY A 141
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
None
EDO  A 243 (-4.0A)
EDO  A 243 (-4.1A)
EDO  A 243 (-3.6A)
0.50A 5wyqA-3quvA:
21.0
5wyqA-3quvA:
41.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
7 / 12 PRO A  85
GLY A 109
GLY A 113
ILE A 133
VAL A 137
LEU A 138
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
None
EDO  A 243 (-4.0A)
EDO  A 243 (-3.6A)
0.67A 5wyqA-3quvA:
21.0
5wyqA-3quvA:
41.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
8 / 12 PRO A  85
GLY A 109
SER A 132
ILE A 133
TYR A 136
LEU A 138
GLY A 140
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
None
None
None
EDO  A 243 (-4.0A)
EDO  A 243 (-4.1A)
EDO  A 243 (-3.6A)
0.64A 5wyqB-3quvA:
21.1
5wyqB-3quvA:
41.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)
2wfo GLYCOPROTEIN 1
(Machupo
mammarenavirus)
5 / 11 ASP A 222
SER A 224
VAL A 215
ILE A 217
ASN A 174
NAG  A1243 ( 4.1A)
None
None
None
None
1.30A 5y80A-2wfoA:
undetectable
5y80A-2wfoA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis)
4 / 5 TYR A 116
MET A 182
THR A 181
LEU A  66
None
None
None
F6R  A1243 (-4.0A)
1.40A 5z86J-2bkxA:
undetectable
5z86J-2bkxA:
10.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 PRO A  85
GLU A 112
GLY A 113
ILE A 133
LEU A 138
GLY A 141
EDO  A 243 (-3.7A)
None
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
EDO  A 243 (-3.6A)
1.21A 5zhmB-3quvA:
22.2
5zhmB-3quvA:
40.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 PRO A  85
GLU A 112
GLY A 113
ILE A 133
VAL A 137
LEU A 138
EDO  A 243 (-3.7A)
None
EDO  A 244 (-3.4A)
None
None
EDO  A 243 (-4.0A)
1.23A 5zhmB-3quvA:
22.2
5zhmB-3quvA:
40.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
6 / 12 PRO A  85
GLY A 109
GLY A 113
ILE A 133
LEU A 138
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
EDO  A 243 (-4.0A)
EDO  A 243 (-3.6A)
1.26A 5zhmB-3quvA:
22.2
5zhmB-3quvA:
40.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus)
9 / 12 PRO A  85
GLY A 109
GLY A 113
SER A 132
ILE A 133
VAL A 137
LEU A 138
GLY A 140
GLY A 141
EDO  A 243 (-3.7A)
EDO  A 244 ( 4.1A)
EDO  A 244 (-3.4A)
None
None
None
EDO  A 243 (-4.0A)
EDO  A 243 (-4.1A)
EDO  A 243 (-3.6A)
0.73A 5zhmB-3quvA:
22.2
5zhmB-3quvA:
40.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo
sapiens)
4 / 8 HIS A 119
ASP A 121
HIS A 172
HIS A 234
FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.68A 5zj8A-4v0hA:
15.3
5zj8A-4v0hA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6D8P_A_ACTA810_0
(UNCHARACTERIZED
PROTEIN)
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli)
4 / 6 TYR A 239
GLU A 242
GLN A 243
LYS A 246
TYR  A 239 ( 1.3A)
GLU  A 242 ( 0.6A)
GLN  A 243 ( 0.6A)
LYS  A 246 ( 0.0A)
1.02A 6d8pA-1fxjA:
0.0
6d8pA-1fxjA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)
4b0a TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1,
LINKER,
TATA-BOX-BINDING
PROTEIN

(Saccharomyces
cerevisiae)
5 / 12 TYR A  19
PHE A 216
ILE A  32
PHE A  23
ILE A 243
GOL  A1070 ( 4.9A)
None
GOL  A1243 (-4.5A)
GOL  A1070 (-3.7A)
None
1.19A 6mkeA-4b0aA:
undetectable
6mkeD-4b0aA:
undetectable
6mkeA-4b0aA:
20.20
6mkeD-4b0aA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MKE_B_FK5B201_0
(PEPTIDYLPROLYL
ISOMERASE)
4b0a TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1,
LINKER,
TATA-BOX-BINDING
PROTEIN

(Saccharomyces
cerevisiae)
5 / 12 TYR A  19
PHE A 216
ILE A  32
PHE A  23
ILE A 243
GOL  A1070 ( 4.9A)
None
GOL  A1243 (-4.5A)
GOL  A1070 (-3.7A)
None
1.19A 6mkeB-4b0aA:
undetectable
6mkeC-4b0aA:
undetectable
6mkeB-4b0aA:
20.20
6mkeC-4b0aA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum)
4 / 7 ASP A 217
TYR A 255
GLU A 222
GLU A 225
LLP  A 243 ( 2.9A)
None
None
None
1.32A 6mn5B-3hvyA:
undetectable
6mn5B-3hvyA:
10.87